General Information of the Compound
| Compound ID |
CP0453372
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-1-(4-oxo-1-pentyl-7-phenylsulfanylquinoline-3-carbonyl)pyrrolidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29N3O3S
|
||||||||||||||||||
| Molecular Weight |
463.603
|
||||||||||||||||||
| Canonical SMILES |
CCCCCn1cc(C(=O)N2CCC[C@H]2C(N)=O)c(=O)c2ccc(Sc3ccccc3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29N3O3S/c1-2-3-7-14-28-17-21(26(32)29-15-8-11-22(29)25(27)31)24(30)20-13-12-19(16-23(20)28)33-18-9-5-4-6-10-18/h4-6,9-10,12-13,16-17,22H,2-3,7-8,11,14-15H2,1H3,(H2,27,31)/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MNDIRIBQUNTRFA-QFIPXVFZSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2